Vitas-M small molecule compound
(E)-[3-methyl-4-(2-methylpropoxy)phenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK563847
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCC[NH+]1CCOCC1)/[O-])C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H35N3O7 MW 537.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O7/c1-19(2)18-39-24-10-7-22(17-20(24)3)27(33)25-26(21-5-8-23(9-6-21)32(36)37)31(29(35)28(25)34)12-4-11-30-13-15-38-16-14-30/h5-10,17,19,26,33H,4,11-16,18H2,1-3H3/b27-25+InChIKey
CJDUFQYGMOBSQD-IMVLJIQESA-NSynonyms
488110-93-6(4E)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(3methyl4(2methylpropoxy)phenyl)(1(3(morpholin4ium4yl)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3METHYL4(2METHYLPROPOXY)PHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488110936
CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)(N+)(=O)(O))(O))OCC(C)C
InChI=1SC29H35N3O7c119(2)18392410722(1720(24)3)27(33)2526(215823(9621)32(36)37)31(29(35)28(25)34)1241130131538161430h51017192633H4111618H213H3b2725+
MFCD18244397
ZINC000102175359
ZINC000102175363
Check stock
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Check stock on Vitas-MAvailable files
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